[5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol

C12H19N3O — CID 53444057

IUPAC[5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol
SMILESCC1CNCCN1c1ccc(N)cc1CO
InChIInChI=1S/C12H19N3O/c1-9-7-14-4-5-15(9)12-3-2-11(13)6-10(12)8-16/h2-3,6,9,14,16H,4-5,7-8,13H2,1H3
InChIKeyGERNPGVEIMKSNY-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.56
Rot. Bonds2

About [5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol

[5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol (PubChem CID 53444057) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol
PubChem CID53444057
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol
SMILESCC1CNCCN1c1ccc(N)cc1CO
InChIInChI=1S/C12H19N3O/c1-9-7-14-4-5-15(9)12-3-2-11(13)6-10(12)8-16/h2-3,6,9,14,16H,4-5,7-8,13H2,1H3
InChIKeyGERNPGVEIMKSNY-UHFFFAOYSA-N
XLogP0.56
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol?
The IUPAC name of [5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol (CID 53444057) is [5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol.
What is the SMILES notation for [5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol?
The canonical SMILES for [5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol is CC1CNCCN1c1ccc(N)cc1CO.
What is the InChIKey of [5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol?
The InChIKey is GERNPGVEIMKSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-14-4-5-15(9)12-3-2-11(13)6-10(12)8-16/h2-3,6,9,14,16H,4-5,7-8,13H2,1H3.
What are the key properties of [5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol?
[5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol has a molecular weight of 221.30 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(2-methylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 53444057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).